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Dear Dr. Lu,
First of all, thank you for your efforts in the development and constant improvement of MultiWFN-software.
In your recent preprint (Van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactions) you have successfully demonstrated the importance of analysis of van der Waals surface.
Particularly, the superposition of Ne atoms for all MD frames (Fig. 10) looks quite attractive for the action spectroscopy field, where neutral gas molecules driven mostly dispersion interactions are weakly bound to gas-phase ions. I am wondering how can one visualize it using MultiWFN+VMD software?
Looking forward to hearing from you.
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